methyl 5-(4-aminophenyl)-1-(4-sulfamoylphenyl)pyrazol-1-ium-1-carboxylate

Systemtic Name: methyl 5-(4-aminophenyl)-1-(4-sulfamoylphenyl)pyrazol-1-ium-1-carboxylate Openeye Name: methyl 5-(4-aminophenyl)-1-(4-sulfamoylphenyl)pyrazol-1-ium-1-carboxylate CAS Name: 5-(4-aminophenyl)-1-(4-sulfamoylphenyl)-1-pyrazol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-(4-aminophenyl)-1-(4-sulfamoylphenyl)pyrazol-1-ium-1-carboxylate Traditional Name: 5-(4-aminophenyl)-1-(4-sulfamoylphenyl)pyrazol-1-ium-1-carboxylic acid methyl ester Formula: C17H17N4O4S+ MolecularWeight: 373.40628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[N+]1(C(=CC=N1)C2=CC=C(C=C2)N)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)[N+]1(C(=CC=N1)C2=CC=C(C=C2)N)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H17N4O4S/c1-25-17(22)21(14-6-8-15(9-7-14)26(19,23)24)16(10-11-20-21)12-2-4-13(18)5-3-12/h2-11H,18H2,1H3,(H2,19,23,24)/q+1